| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | Yes |
Popular Name: 2-[4-chloro-2-[[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methyl]phenoxy]acetonitrile 2-[4-chloro-2-[[(2R)-2-(1,3-diox…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.89 | 8.43 | -35.62 | 1 | 5 | 1 | 56 | 337.827 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 6.26 | -8.85 | 0 | 5 | 0 | 55 | 336.819 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
